4-(cyclohexylidenemethoxy)oxane

C12H20O2 — CID 176605414

IUPAC4-(cyclohexylidenemethoxy)oxane
SMILESC(OC1CCOCC1)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h10,12H,1-9H2
InChIKeyILCFPAGVYFJBKR-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds2

About 4-(cyclohexylidenemethoxy)oxane

4-(cyclohexylidenemethoxy)oxane (PubChem CID 176605414) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(cyclohexylidenemethoxy)oxane.

Molecular Properties

Compound Name4-(cyclohexylidenemethoxy)oxane
PubChem CID176605414
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-(cyclohexylidenemethoxy)oxane
SMILESC(OC1CCOCC1)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h10,12H,1-9H2
InChIKeyILCFPAGVYFJBKR-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methylidenecyclohexyl)oxyoxane
CID 88984885
1-Ethoxy-4-(methoxymethylidene)cyclohexane
CID 118366710
1-Methoxy-4-(methoxymethylidene)cyclohexane
CID 118962999
2,5-dimethyl-3,4-dihydro-2H-pyran
CID 157503514
2-(5-Cyclohexyloxypentyl)-1,4-dioxine
CID 174849528
2-(Cyclohexylidenemethoxymethyl)-1,4-dioxane
CID 176602915
4-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176602976
4-(Cyclopentylidenemethoxy)oxane
CID 176603057
3-(Cyclohexylidenemethoxy)oxane
CID 176603061
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dioxane
CID 176603397
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604064
2-[2-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176604143

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylidenemethoxy)oxane?
The IUPAC name of 4-(cyclohexylidenemethoxy)oxane (CID 176605414) is 4-(cyclohexylidenemethoxy)oxane.
What is the SMILES notation for 4-(cyclohexylidenemethoxy)oxane?
The canonical SMILES for 4-(cyclohexylidenemethoxy)oxane is C(OC1CCOCC1)=C1CCCCC1.
What is the InChIKey of 4-(cyclohexylidenemethoxy)oxane?
The InChIKey is ILCFPAGVYFJBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h10,12H,1-9H2.
What are the key properties of 4-(cyclohexylidenemethoxy)oxane?
4-(cyclohexylidenemethoxy)oxane has a molecular weight of 196.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylidenemethoxy)oxane is sourced from PubChem (CID 176605414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).